S$_{3}$U$_{4}$ Structure: A3B4_cP7_221_d_ac-001
| Prototype | S$_{3}$U$_{4}$ |
| AFLOW prototype label | A3B4_cP7_221_d_ac-001 |
| ICSD | 38354 |
| Pearson symbol | cP7 |
| Space group number | 221 |
| Space group symbol | $Pm\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=A3B4_cP7_221_d_ac-001
--params=$a$ |
Other compounds with this structure
NbC
- This is the rock salt ($B1$) structure with the central atom removed in each cube.
- The ICSD entry for this structure uses a = 5.505Å, but (Zumbush, 1940) states that the correct value is 5.49Å. As this is consistent with the S-S and S-U distances given in the paper we use this value.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | U I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | U II |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | U II |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (3c) | U II |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}$ | (3d) | S I |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}$ | (3d) | S I |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3d) | S I |
References
- M. Zumbusch, Über die Strukturen des Uransubsulfids und der Subphosphide des Iridiums und Rhodiums, Z. Anorganische und Allgemeine Chemie 243, 322–329 (1940), doi:10.1002/zaac.19402430403.
Found in
- R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).
Prototype Generator
aflow --proto=A3B4_cP7_221_d_ac --params=$a$